5JEE
 
 | | Apo-structure of humanised RadA-mutant humRadA26F | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA | | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2016-04-18 | | Release date: | 2016-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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8DAE
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7QG0
 | | Inhibitor-induced hSARM1 duplex | | Descriptor: | NAD(+) hydrolase SARM1 | | Authors: | Zalk, R, Kahzma, T, Guez-Haddad, J. | | Deposit date: | 2021-12-07 | | Release date: | 2022-12-21 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.02 Å) | | Cite: | A duplex structure of SARM1 octamers stabilized by a new inhibitor.
Cell.Mol.Life Sci., 80, 2022
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8DE5
 | | Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii | | Descriptor: | D-galactonic acid, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... | | Authors: | Hernandez-Prieto, J.H, Martini, V.P, Iulek, J. | | Deposit date: | 2022-06-19 | | Release date: | 2023-06-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii in complex with an aldonic sugar acid.
Biochimie, 218, 2023
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5JJP
 | | Crystal structure of CmiS6 | | Descriptor: | Nonribosomal peptide synthase | | Authors: | Cieslak, J, Miyanaga, A, Kudo, F, Eguchi, T. | | Deposit date: | 2016-04-25 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biochemical characterization and structural insight into aliphatic beta-amino acid adenylation enzymes IdnL1 and CmiS6
Proteins, 85, 2017
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5WF0
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5JK4
 | | Phosphate-Binding Protein from Stenotrophomonas maltophilia. | | Descriptor: | Alkaline phosphatase, PHOSPHATE ION | | Authors: | Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B. | | Deposit date: | 2016-04-25 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
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7QUJ
 | | Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2 | | Authors: | Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E. | | Deposit date: | 2022-01-18 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
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7XHQ
 | | Small-molecule Allosteric Regulation Mechanism of SHP2 | | Descriptor: | 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, Y, Zhu, J, Yu, K, Liu, B. | | Deposit date: | 2022-04-09 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
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5JG1
 | | HIV-1 wild Type protease with GRL-031-14A (a Adamantane P1-Ligand with tetrahydropyrano-tetrahydrofuran in P2 and isobutylamine in P1') | | Descriptor: | (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.
J.Med.Chem., 59, 2016
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8TMT
 | | Crystal structure of KPC-44 carbapenemase in complex with vaborbactam | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | | Authors: | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | Deposit date: | 2023-07-30 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
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5WBP
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3SY2
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1X7X
 | | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2004-08-16 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
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7QRD
 | | Crystal structure of mouse CARM1 in complex with histone H3_10-25 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2022-01-11 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CARM1 Transition State Mimics
To Be Published
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8TN0
 | | Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | | Descriptor: | SULFATE ION, beta-lactamase | | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | Deposit date: | 2023-07-31 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
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5J4U
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8TJM
 | | Crystal structure of KPC-44 carbapenemase | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | Deposit date: | 2023-07-23 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
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8TMR
 | | Crystal structure of KPC-44 carbapenemase complexed with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | Deposit date: | 2023-07-30 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
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5J5C
 | | Crystal structure of ARL1-GTP and DCB domain of BIG1 complex | | Descriptor: | ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Wang, R, Wang, Z, Zhang, T, Ding, J. | | Deposit date: | 2016-04-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis for targeting BIG1 to Golgi apparatus through interaction of its DCB domain with Arl1
J Mol Cell Biol, 2016
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2IXN
 | | CRYSTAL STRUCTURE OF THE PP2A PHOSPHATASE ACTIVATOR Ypa2 PTPA2 | | Descriptor: | SERINE/THREONINE-PROTEIN PHOSPHATASE 2A ACTIVATOR 2 | | Authors: | Leulliot, N, Vicentini, G, Jordens, J, Quevillon-Cheruel, S, Schiltz, M, Barford, D, Van Tilbeurgh, H, Goris, J. | | Deposit date: | 2006-07-09 | | Release date: | 2006-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Pp2A Phosphatase Activator: Implications for its Pp2A-Specific Ppiase Activity
Mol.Cell, 23, 2006
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3T7J
 | | Crystal structure of Rtt107p (residues 820-1070) | | Descriptor: | Regulator of Ty1 transposition protein 107 | | Authors: | Li, X, Li, F, Wu, J, Shi, Y. | | Deposit date: | 2011-07-30 | | Release date: | 2012-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.042 Å) | | Cite: | Structure of C-terminal Tandem BRCT Repeats of Rtt107 Protein Reveals Critical Role in Interaction with Phosphorylated Histone H2A during DNA Damage Repair
J.Biol.Chem., 287, 2012
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2IIP
 | | Human Nicotinamide N-methyltransferase | | Descriptor: | Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Bernstein, G, Min, J, Wu, H, Tempel, W, Zeng, H, Loppnau, P, Avvakumov, G.V, Wasney, G, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-09-28 | | Release date: | 2006-10-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Crystal Structure of Human Nicotinamide N-methyltransferase in complex with SAH
To be Published
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8DRT
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence (form 2) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | Deposit date: | 2022-07-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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8DPD
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